Structure of PDB 4bn2 Chain C Binding Site BS01

Receptor Information
>4bn2 Chain C (length=311) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDAIKVFVRIRPPAERSNLCLSVLSSTSLRLHSNPEPKTFTFDHVADVDT
TQESVFATVAKSIVESCMSGYNGTIFAYGQTGSGKTFTMMGPSSHNLRGV
IPRSFEYLFSLIDREKEKSFLCKCSFIEIYNEQIYDLLDSASAGLYLREH
IKKGVFVVGAVEQVVTSAAEAYQVLSGGWRNRRVASTSNRESSRSHAVFT
ITIESMIVNIRTSLLNLVDLAGSERQINRSLSCLGQVITALVDVGNGKQR
HVCYRDSKLTFLLRDSLGGNAKTAIIANVHPGSRCFGETLSTLNFAQRAK
LIKNKAVVNED
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain4bn2 Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4bn2 The Crystal Structure and Biochemical Characterization of Kif15: A Bifunctional Molecular Motor Involved in Bipolar Spindle Formation and Neuronal Development
Resolution2.695 Å
Binding residue
(original residue number in PDB)		R18 R20 P21 G98 G100 K101 T102 F103
Binding residue
(residue number reindexed from 1)		R9 R11 P12 G82 G84 K85 T86 F87
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003777 microtubule motor activity
GO:0005524 ATP binding
GO:0008017 microtubule binding
Biological Process
GO:0007018 microtubule-based movement

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4bn2, PDBe:4bn2, PDBj:4bn2
PDBsum4bn2
PubMed24419385
UniProtQ9NS87|KIF15_HUMAN Kinesin-like protein KIF15 (Gene Name=KIF15)

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